6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate

C79H72Br2Cl4N22O15 — CID 167676170

IUPAC6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)nc1.COC(=O)c1ccc(Br)nc1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Nc3ccncc3)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)O)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1Cl
InChIInChI=1S/C23H20ClN7O3.C19H18ClN5O4.C18H16ClN5O4.C12H12BrClN4O2.C7H6BrNO2/c1-14(17-4-3-9-26-22(17)24)34-20(32)12-19-21(29-30-31(19)2)18-6-5-15(13-27-18)23(33)28-16-7-10-25-11-8-16;1-11(13-5-4-8-21-18(13)20)29-16(26)9-15-17(23-24-25(15)2)14-7-6-12(10-22-14)19(27)28-3;1-10(12-4-3-7-20-17(12)19)28-15(25)8-14-16(22-23-24(14)2)13-6-5-11(9-21-13)18(26)27;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-11-7(10)5-2-3-6(8)9-4-5/h3-11,13-14H,12H2,1-2H3,(H,25,28,33);4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3,(H,26,27);3-5,7H,6H2,1-2H3;2-4H,1H3/t14-;11-;10-;7-;/m1111./s1
InChIKeyUVNRAWNYKJLDBN-MCYFVJGLSA-N
MW1871.20 g/mol
LogP12.55
Rot. Bonds24

About 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate

6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate (PubChem CID 167676170) has the molecular formula C79H72Br2Cl4N22O15 and a molecular weight of 1871.20 g/mol. Its IUPAC name is 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
PubChem CID167676170
Molecular FormulaC79H72Br2Cl4N22O15
Molecular Weight1871.20 g/mol
Exact Mass1866.27
IUPAC Name6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)nc1.COC(=O)c1ccc(Br)nc1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Nc3ccncc3)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)O)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1Cl
InChIInChI=1S/C23H20ClN7O3.C19H18ClN5O4.C18H16ClN5O4.C12H12BrClN4O2.C7H6BrNO2/c1-14(17-4-3-9-26-22(17)24)34-20(32)12-19-21(29-30-31(19)2)18-6-5-15(13-27-18)23(33)28-16-7-10-25-11-8-16;1-11(13-5-4-8-21-18(13)20)29-16(26)9-15-17(23-24-25(15)2)14-7-6-12(10-22-14)19(27)28-3;1-10(12-4-3-7-20-17(12)19)28-15(25)8-14-16(22-23-24(14)2)13-6-5-11(9-21-13)18(26)27;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-11-7(10)5-2-3-6(8)9-4-5/h3-11,13-14H,12H2,1-2H3,(H,25,28,33);4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3,(H,26,27);3-5,7H,6H2,1-2H3;2-4H,1H3/t14-;11-;10-;7-;/m1111./s1
InChIKeyUVNRAWNYKJLDBN-MCYFVJGLSA-N
XLogP12.55
TPSA463.05 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.20
LogP ≤ 512.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(6-[5-[[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylic acid);[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[2-(3-cyano-1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 6-bromo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 167597468
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-(oxan-4-yl)acetyl]-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(2-phenylacetyl)-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate
CID 167636506
6-[5-[2-[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]-2-pyridinyl]triazol-4-yl]acetate;5-(5-methoxycarbonyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;methyl 6-[5-[2-[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate
CID 167678614
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3,3-difluorocyclobutyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[5-[5-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetyl]-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]triazol-4-yl]acetate
CID 167698421
tert-butyl N-(6-bromo-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 157688471
7-Bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylic acid;methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 157892923
2-(6-Bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 158812320
7-Bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 158895687
7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carbaldehyde;[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol;methyl 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 158981466
5-bromo-3-ethyltriazole-4-carboxylic acid;tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]triazol-4-yl]acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazol-4-yl]acetate;3-ethyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 159279974
N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;2-ethylpyridin-3-amine;N-(2-ethyl-3-pyridinyl)methanesulfonamide
CID 159510631
5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine
CID 159847219

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?
The IUPAC name of 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate (CID 167676170) is 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?
The canonical SMILES for 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2nnn(C)c2CC(=O)O[C@H](C)c2cccnc2Cl)nc1.COC(=O)c1ccc(Br)nc1.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)Nc3ccncc3)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(C(=O)O)cn2)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Cc1c(Br)nnn1C)c1cccnc1Cl.
What is the InChIKey of 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?
The InChIKey is UVNRAWNYKJLDBN-MCYFVJGLSA-N. The full InChI is InChI=1S/C23H20ClN7O3.C19H18ClN5O4.C18H16ClN5O4.C12H12BrClN4O2.C7H6BrNO2/c1-14(17-4-3-9-26-22(17)24)34-20(32)12-19-21(29-30-31(19)2)18-6-5-15(13-27-18)23(33)28-16-7-10-25-11-8-16;1-11(13-5-4-8-21-18(13)20)29-16(26)9-15-17(23-24-25(15)2)14-7-6-12(10-22-14)19(27)28-3;1-10(12-4-3-7-20-17(12)19)28-15(25)8-14-16(22-23-24(14)2)13-6-5-11(9-21-13)18(26)27;1-7(8-4-3-5-15-12(8)14)20-10(19)6-9-11(13)16-17-18(9)2;1-11-7(10)5-2-3-6(8)9-4-5/h3-11,13-14H,12H2,1-2H3,(H,25,28,33);4-8,10-11H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3,(H,26,27);3-5,7H,6H2,1-2H3;2-4H,1H3/t14-;11-;10-;7-;/m1111./s1.
What are the key properties of 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate?
6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate has a molecular weight of 1871.20 g/mol, XLogP of 12.55, 24 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-(5-bromo-3-methyltriazol-4-yl)acetate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] 2-[3-methyl-5-[5-(pyridin-4-ylcarbamoyl)-2-pyridinyl]triazol-4-yl]acetate;methyl 6-bromopyridine-3-carboxylate;methyl 6-[5-[2-[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]-2-oxoethyl]-1-methyltriazol-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 167676170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).